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

Systemtic Name: methyl 6-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methylpropyl)carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-isobutyl-carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(2-methylpropyl)amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-isobutyl-carbamoyl]nicotinic acid methyl ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=NC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=NC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C20H27N5O5/c1-5-6-9-24-16(21)15(17(26)23-20(24)29)25(11-12(2)3)18(27)14-8-7-13(10-22-14)19(28)30-4/h7-8,10,12H,5-6,9,11,21H2,1-4H3,(H,23,26,29)