methyl 6-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-butylamino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]pyridine-3-carboxylate Traditional Name: 6-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-butyl-carbamoyl]nicotinic acid methyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N5O5/c1-3-4-12-27(21(30)17-11-10-16(13-25-17)22(31)33-2)18-19(24)28(23(32)26-20(18)29)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14,24H2,1-2H3,(H,26,29,32)