6-[(4-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-[(4-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,4-d]pyrimidin-4-amine CAS Name: 6-[(4-chloro-1,3-benzodioxol-5-yl)methyl]-4-pyrrolo[3,4-d]pyrimidinamine IUPAC Name: 6-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,4-d]pyrimidin-4-yl]amine Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)CN3C=C4C(=C3)N=CN=C4N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)CN3C=C4C(=C3)N=CN=C4N)Cl

InChI

InChI=1S/C14H11ClN4O2/c15-12-8(1-2-11-13(12)21-7-20-11)3-19-4-9-10(5-19)17-6-18-14(9)16/h1-2,4-6H,3,7H2,(H2,16,17,18)