CJN
Summary
Name: | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine |
Formula: | C17 H27 N5 |
Formal charge: | 0 |
Formula weight: | 301.43 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14- |
InChIKey | InChI | 1.03 | ODGACFGAGYOOJS-HDJSIYSDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ccc2ncnc(N[C@@H]3CC[C@H](CC3)N(C)C)c12 |
SMILES | CACTVS | 3.385 | CC(C)n1ccc2ncnc(N[CH]3CC[CH](CC3)N(C)C)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C |