N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(phenylmethyl)pyridine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(phenylmethyl)pyridine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-chloro-pyridine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(phenylmethyl)-4-pyridinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-chloropyridine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-chloro-isonicotinamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=NC=C3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=NC=C3)Cl)N

InChI

InChI=1S/C21H22ClN5O3/c1-2-3-11-26-18(23)17(19(28)25-21(26)30)27(13-14-7-5-4-6-8-14)20(29)15-9-10-24-16(22)12-15/h4-10,12H,2-3,11,13,23H2,1H3,(H,25,28,30)