3-[7-(cyanomethyl)-9-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-oxidanylidene-purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[7-(cyanomethyl)-9-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-oxidanylidene-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[9-[(4S)-chroman-4-yl]-7-(cyanomethyl)-8-oxo-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[7-(cyanomethyl)-9-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-8-oxo-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[7-(cyanomethyl)-9-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-oxopurin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[9-[(4S)-chroman-4-yl]-7-(cyanomethyl)-8-keto-purin-2-yl]benzimidazole-5-carbonitrile Formula: C24H16N8O2 MolecularWeight: 448.43624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1N3C4=NC(=NC=C4N(C3=O)CC#N)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1N3C4=NC(=NC=C4N(C3=O)CC#N)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C24H16N8O2/c25-8-9-30-20-13-27-23(31-14-28-17-6-5-15(12-26)11-19(17)31)29-22(20)32(24(30)33)18-7-10-34-21-4-2-1-3-16(18)21/h1-6,11,13-14,18H,7,9-10H2/t18-/m0/s1