2-azanyl-4-(1,3-benzodioxol-5-yl)-6-[(phenylmethyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-[(phenylmethyl)amino]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(benzylamino)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[(phenylmethyl)amino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(benzylamino)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(benzylamino)pyrimidine-5-carbonitrile Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCC4=CC=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)N)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C19H15N5O2/c20-9-14-17(13-6-7-15-16(8-13)26-11-25-15)23-19(21)24-18(14)22-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H3,21,22,23,24)