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

Systemtic Name: methyl 6-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(furan-2-ylmethyl)carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-(2-furylmethyl)carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(2-furanylmethyl)amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-(2-furfuryl)carbamoyl]nicotinic acid methyl ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=NC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=NC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C21H23N5O6/c1-3-4-9-25-17(22)16(18(27)24-21(25)30)26(12-14-6-5-10-32-14)19(28)15-8-7-13(11-23-15)20(29)31-2/h5-8,10-11H,3-4,9,12,22H2,1-2H3,(H,24,27,30)