種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2N(N=C(c1ncnn1)C(NC(C)C)=C2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H16N6O/c1-10(2)18-12-8-13(22)21(11-6-4-3-5-7-11)20-14(12)15-16-9-17-19-15/h3-10,18H,1-2H3,(H,16,17,19) |
InChIKey | InChI | 1.03 | VZIFGHQBDGDZHH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC1=CC(=O)N(N=C1c2n[nH]cn2)c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(C)NC1=CC(=O)N(N=C1c2n[nH]cn2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3 |