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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-[2-(4-hydroxyphenyl)ethylamino]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(4-hydroxyphenyl)ethylamino]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(4-hydroxyphenyl)ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(4-hydroxyphenyl)ethylamino]pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(4-hydroxyphenyl)ethylamino]pyrimidine-5-carbonitrile Formula: C20H17N5O3 MolecularWeight: 375.38068

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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=C(C=C4)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3/c21-10-15-18(13-3-6-16-17(9-13)28-11-27-16)24-20(22)25-19(15)23-8-7-12-1-4-14(26)5-2-12/h1-6,9,26H,7-8,11H2,(H3,22,23,24,25)