種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1 |
InChI | InChI | 1.03 | InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19) |
InChIKey | InChI | 1.03 | SOQWCHRGAQNWSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3 |
SMILES | CACTVS | 3.385 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N |