4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 4-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-benzyl-carbamoyl]benzoic acid CAS Name: 4-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(phenylmethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamoyl]benzoic acid Traditional Name: 4-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-benzyl-carbamoyl]benzoic acid Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C23H24N4O5/c1-2-3-13-26-19(24)18(20(28)25-23(26)32)27(14-15-7-5-4-6-8-15)21(29)16-9-11-17(12-10-16)22(30)31/h4-12H,2-3,13-14,24H2,1H3,(H,30,31)(H,25,28,32)