3-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)N(CCC#N)CCC#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)N(CCC#N)CCC#N)N

InChI

InChI=1S/C17H17N7O2/c18-5-1-7-24(8-2-6-19)17-15(20)16(21-10-22-17)23-12-3-4-13-14(9-12)26-11-25-13/h3-4,9-10H,1-2,7-8,11,20H2,(H,21,22,23)