2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenethylamino)pyrimidine-5-carbonitrile Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H17N5O2/c21-11-15-18(14-6-7-16-17(10-14)27-12-26-16)24-20(22)25-19(15)23-9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,12H2,(H3,22,23,24,25)