Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(C(=NC14c3c(ccc(c2cncnc2)c3)CC(C4)(C)C)N)C |
InChI | InChI | 1.03 | InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | UPOMBIAVTOFWMY-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=N[C@@]2(CC(C)(C)Cc3ccc(cc23)c4cncnc4)C1=O)N |
SMILES | CACTVS | 3.370 | CN1C(=N[C]2(CC(C)(C)Cc3ccc(cc23)c4cncnc4)C1=O)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(Cc2ccc(cc2C3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C |