A1A7A
Summary
| Name: | (2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol |
| Formula: | C15 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 285.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-[(8-azanyl-9~{H}-pyrimido[4,5-b]indol-4-yl)amino]-3-methyl-butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C(CO)Nc1ncnc2[NH]c3c(cccc3N)c12 |
| InChI | InChI | 1.06 | InChI=1S/C15H19N5O/c1-8(2)11(6-21)19-14-12-9-4-3-5-10(16)13(9)20-15(12)18-7-17-14/h3-5,7-8,11,21H,6,16H2,1-2H3,(H2,17,18,19,20)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | LIGDWEWCEHFSAH-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](CO)Nc1ncnc2[nH]c3c(N)cccc3c12 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](CO)Nc1ncnc2[nH]c3c(N)cccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)[C@H](CO)Nc1c2c3cccc(c3[nH]c2ncn1)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C(CO)Nc1c2c3cccc(c3[nH]c2ncn1)N |
