methyl 4-[4-[2-azanyl-4-oxidanylidene-6-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]butyl]benzoate

Systemtic Name: methyl 4-[4-[2-azanyl-4-oxidanylidene-6-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]butyl]benzoate Openeye Name: methyl 4-[4-[2-amino-6-(benzylamino)-4-oxo-1H-pyrimidin-5-yl]butyl]benzoate CAS Name: 4-[4-[2-amino-4-oxo-6-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-amino-6-(benzylamino)-4-oxo-1H-pyrimidin-5-yl]butyl]benzoate Traditional Name: 4-[4-[2-amino-6-(benzylamino)-4-keto-1H-pyrimidin-5-yl]butyl]benzoic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)NCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-30-22(29)18-13-11-16(12-14-18)7-5-6-10-19-20(26-23(24)27-21(19)28)25-15-17-8-3-2-4-9-17/h2-4,8-9,11-14H,5-7,10,15H2,1H3,(H4,24,25,26,27,28)