3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-cyclopentylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H28N6O6 MolecularWeight: 496.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)N

InChI

InChI=1S/C24H28N6O6/c1-2-3-12-28-20(25)19(21(32)26-24(28)36)30(14-8-4-5-9-14)17(31)13-29-22(33)16-11-7-6-10-15(16)18(27-29)23(34)35/h6-7,10-11,14H,2-5,8-9,12-13,25H2,1H3,(H,34,35)(H,26,32,36)