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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-butylcyclohexane-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic 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 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5O2/c1-2-3-7-15-10-12-16(13-11-15)19(27)28-14-18-24-20(22)26-21(25-18)23-17-8-5-4-6-9-17/h4-6,8-9,15-16H,2-3,7,10-14H2,1H3,(H3,22,23,24,25,26)