6-azanyl-5-(phenylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; propan-2-one

Systemtic Name: 6-azanyl-5-(phenylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; propan-2-one Openeye Name: acetone; 6-amino-5-benzyl-pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile CAS Name: 6-amino-5-(phenylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; 2-propanone IUPAC Name: 6-amino-5-benzylpyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; propan-2-one Traditional Name: acetone; 6-amino-5-benzyl-pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile Formula: C19H15N7O MolecularWeight: 357.3687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C#N)N

Isomeric SMILES

CC(=O)C.C1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C#N)N

InChI

InChI=1S/C16H9N7.C3H6O/c17-6-11-14-16(22-13(8-19)12(7-18)21-14)23(15(11)20)9-10-4-2-1-3-5-10;1-3(2)4/h1-5H,9,20H2;1-2H3