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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(3-phenylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-phenylpropylamino)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-phenylpropylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-phenylpropylamino)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-phenylpropylamino)pyrimidine-5-carbonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H19N5O2/c22-12-16-19(15-8-9-17-18(11-15)28-13-27-17)25-21(23)26-20(16)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,13H2,(H3,23,24,25,26)