2-azanyl-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-6-(1,3-benzodioxol-5-yl)-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C14H9N5O3 MolecularWeight: 295.25296

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)NC(=NC4=O)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)NC(=NC4=O)N)C#N

InChI

InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)