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

Systemtic Name: 6-azanyl-5-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; propan-2-one Openeye Name: acetone; 6-amino-5-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile CAS Name: 6-amino-5-(2-oxolanylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; 2-propanone IUPAC Name: 6-amino-5-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile; propan-2-one Traditional Name: acetone; 6-amino-5-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1CC(OC1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C#N)N

Isomeric SMILES

CC(=O)C.C1CC(OC1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C#N)N

InChI

InChI=1S/C14H11N7O.C3H6O/c15-4-9-12-14(20-11(6-17)10(5-16)19-12)21(13(9)18)7-8-2-1-3-22-8;1-3(2)4/h8H,1-3,7,18H2;1-2H3