[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

InChI

InChI=1S/C28H29N5O6/c1-3-4-10-15-33-25(35)20-14-9-8-13-19(20)23(30-33)27(37)39-17-21(34)22-24(29)32(28(38)31(2)26(22)36)16-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17,29H2,1-2H3