(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H22N6O3/c19-17-21-14(22-18(23-17)20-13-7-3-1-4-8-13)12-27-16(26)11-24-10-6-2-5-9-15(24)25/h1,3-4,7-8H,2,5-6,9-12H2,(H3,19,20,21,22,23)