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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-4-keto-3H-phthalazine-1-carboxamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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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=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H26N6O4/c1-4-5-10-26(16-17(22)27(11-12(2)3)21(31)23-19(16)29)20(30)15-13-8-6-7-9-14(13)18(28)25-24-15/h6-9,12H,4-5,10-11,22H2,1-3H3,(H,25,28)(H,23,29,31)