N-[4-(1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1,3-dimethyl-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(1,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-piperonylamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=NN(C2=C1N=CN(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H17N5O4/c1-12-18-19(25(2)24-12)21(28)26(10-22-18)15-6-4-14(5-7-15)23-20(27)13-3-8-16-17(9-13)30-11-29-16/h3-10H,11H2,1-2H3,(H,23,27)