(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic 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 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H22N6O2/c1-12-10-16(13(2)26(12)15-8-9-15)18(27)28-11-17-23-19(21)25-20(24-17)22-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H3,21,22,23,24,25)