H9G
Summary
| Name: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine |
| Formula: | C18 H16 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 376.372 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-methyl-4-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1)c2nnnn2)Oc5c3c(OCC3C)c4c(N)nc(nc4c5)N |
| InChI | InChI | 1.03 | InChI=1S/C18H16N8O2/c1-8-7-27-15-13(8)12(6-11-14(15)16(19)22-18(20)21-11)28-10-4-2-3-9(5-10)17-23-25-26-24-17/h2-6,8H,7H2,1H3,(H4,19,20,21,22)(H,23,24,25,26)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HXCFGIFBIXRFOX-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COc2c1c(Oc3cccc(c3)c4[nH]nnn4)cc5nc(N)nc(N)c25 |
| SMILES | CACTVS | 3.385 | C[CH]1COc2c1c(Oc3cccc(c3)c4[nH]nnn4)cc5nc(N)nc(N)c25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5 |
