4-[2-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]ethylamino]butyrate Formula: C20H23N4O6- MolecularWeight: 415.41982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C20H24N4O6/c1-29-15-9-12-5-8-24-14(13(12)10-16(15)30-2)11-17(23-20(24)28)21-6-7-22-18(25)3-4-19(26)27/h9-11H,3-8H2,1-2H3,(H,22,25)(H,26,27)(H,21,23,28)/p-1