P04
Summary
| Name: | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one |
| Formula: | C19 H21 N7 O |
| Formal charge: | 0 |
| Formula weight: | 363.416 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)CCCC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1CCCCc2cnn3c(NC4CC4)nc(Nc5cccc(N1)c5)nc23 |
| SMILES | CACTVS | 3.341 | O=C1CCCCc2cnn3c(NC4CC4)nc(Nc5cccc(N1)c5)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25) |
| InChIKey | InChI | 1.03 | HIJNSOUPEZHEMC-UHFFFAOYSA-N |
