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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-hexyl-N-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-hexyl-N-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-hexyl-N-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-hexyl-N-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-hexyl-N-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C27H38N6O4 MolecularWeight: 510.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CCCC)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC(C)C)C3=C(N(C(=O)NC3=O)CCCC)N

InChI

InChI=1S/C27H38N6O4/c1-5-7-9-12-16-33-25(35)20-14-11-10-13-19(20)21(30-33)26(36)32(17-18(3)4)22-23(28)31(15-8-6-2)27(37)29-24(22)34/h10-11,13-14,18H,5-9,12,15-17,28H2,1-4H3,(H,29,34,37)