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

Systemtic Name: 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-propyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-propyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-propyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H27N7O5 MolecularWeight: 469.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)N

InChI

InChI=1S/C22H27N7O5/c1-3-5-11-28-18(23)17(20(32)25-22(28)34)27(10-4-2)15(30)12-29-21(33)14-9-7-6-8-13(14)16(26-29)19(24)31/h6-9H,3-5,10-12,23H2,1-2H3,(H2,24,31)(H,25,32,34)