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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-amyl-N-butyl-4-keto-phthalazine-1-carboxamide Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCCC)C3=C(N(C(=O)NC3=O)CCCC)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCCC)C3=C(N(C(=O)NC3=O)CCCC)N

InChI

InChI=1S/C26H36N6O4/c1-4-7-12-17-32-24(34)19-14-11-10-13-18(19)20(29-32)25(35)30(15-8-5-2)21-22(27)31(16-9-6-3)26(36)28-23(21)33/h10-11,13-14H,4-9,12,15-17,27H2,1-3H3,(H,28,33,36)