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

Systemtic Name: methyl 6-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylcarbamoyl]pyridine-3-carboxylate Traditional Name: 6-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-carbamoyl]nicotinic acid methyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-4-6-9-23-14(19)13(15(24)21-18(23)27)22(5-2)16(25)12-8-7-11(10-20-12)17(26)28-3/h7-8,10H,4-6,9,19H2,1-3H3,(H,21,24,27)