3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxidanylidene-pyrimido[4,5-c]quinolizine-6-carbonitrile

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxidanylidene-pyrimido[4,5-c]quinolizine-6-carbonitrile Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxo-pyrimido[4,5-c]quinolizine-6-carbonitrile CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxo-6-pyrimido[4,5-c]quinolizinecarbonitrile IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxopyrimido[4,5-c]quinolizine-6-carbonitrile Traditional Name: 3-(homoveratrylamino)-5-keto-pyrimido[4,5-c]quinolizine-6-carbonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=C3C(=N2)C(=O)C(=C4N3C=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=C3C(=N2)C(=O)C(=C4N3C=CC=C4)C#N)OC

InChI

InChI=1S/C22H19N5O3/c1-29-18-7-6-14(11-19(18)30-2)8-9-24-22-25-13-17-20(26-22)21(28)15(12-23)16-5-3-4-10-27(16)17/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,25,26)