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

Systemtic Name: methyl 6-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-isopentyl-carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(3-methylbutyl)amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-isoamyl-carbamoyl]nicotinic acid methyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c1-5-6-10-26-17(22)16(18(27)24-21(26)30)25(11-9-13(2)3)19(28)15-8-7-14(12-23-15)20(29)31-4/h7-8,12-13H,5-6,9-11,22H2,1-4H3,(H,24,27,30)