種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1ccn2c(NC(C)(C)C)c(nc2c1)c4ccc(c3c(onc3C)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3 |
InChIKey | InChI | 1.03 | YXPVTKHEWGXKEY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2ccc(cc2)c3nc4cnccn4c3NC(C)(C)C |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2ccc(cc2)c3nc4cnccn4c3NC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C |