5-[5-[(4aR,7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-(phenylmethyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[5-[(4aR,7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-(phenylmethyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 5-[5-[(4aR,7aR)-2-amino-6-benzyl-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thienyl]benzene-1,3-dicarbonitrile CAS Name: 5-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-(phenylmethyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thiophenyl]benzene-1,3-dicarbonitrile IUPAC Name: 5-[5-[(4aR,7aR)-2-amino-6-benzyl-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 5-[5-[(4aR,7aR)-2-amino-6-benzyl-4-keto-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thienyl]isophthalonitrile Formula: C26H22N6OS MolecularWeight: 466.55748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)C4=CC(=CC(=C4)C#N)C#N)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)[C@@H]2CN(C[C@@]2(N=C1N)C3=CC=C(S3)C4=CC(=CC(=C4)C#N)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N6OS/c1-31-24(33)21-15-32(14-17-5-3-2-4-6-17)16-26(21,30-25(31)29)23-8-7-22(34-23)20-10-18(12-27)9-19(11-20)13-28/h2-11,21H,14-16H2,1H3,(H2,29,30)/t21-,26-/m0/s1