5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H14N4O3/c1-26-16-4-2-3-13(7-16)19-21-20(24-11-23-19)14(9-22)10-25(21)15-5-6-17-18(8-15)28-12-27-17/h2-8,10-11H,12H2,1H3