N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-propyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CC2=NNC(=O)C3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CC2=NNC(=O)C3=CC=CC=C32)N

InChI

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