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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-keto-3-methyl-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)CCC)N)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4/c1-4-6-12-26(16-17(22)27(11-5-2)21(31)23-18(16)28)20(30)15-13-9-7-8-10-14(13)19(29)25(3)24-15/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,28,31)