N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-6-chloranyl-2H-chromene-3-carboxamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-6-chloranyl-2H-chromene-3-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-6-chloro-2H-chromene-3-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-6-chloro-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-6-chloro-2H-chromene-3-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-6-chloro-2H-chromene-3-carboxamide Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C22H27ClN4O4/c1-4-5-8-26(18-19(24)27(11-13(2)3)22(30)25-20(18)28)21(29)15-9-14-10-16(23)6-7-17(14)31-12-15/h6-7,9-10,13H,4-5,8,11-12,24H2,1-3H3,(H,25,28,30)