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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholinoethylamino)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(4-morpholinyl)ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholinoethylamino)pyrimidine-5-carbonitrile Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC(=NC(=C2C#N)C3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1COCCN1CCNC2=NC(=NC(=C2C#N)C3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H20N6O3/c19-10-13-16(12-1-2-14-15(9-12)27-11-26-14)22-18(20)23-17(13)21-3-4-24-5-7-25-8-6-24/h1-2,9H,3-8,11H2,(H3,20,21,22,23)