4-azanyl-6-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-N-prop-2-enyl-pyrrolo[3,4-d]pyrimidine-7-carboxamide

Systemtic Name: 4-azanyl-6-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-N-prop-2-enyl-pyrrolo[3,4-d]pyrimidine-7-carboxamide Openeye Name: N-allyl-4-amino-6-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]pyrrolo[3,4-d]pyrimidine-7-carboxamide CAS Name: 4-amino-6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-N-prop-2-enyl-7-pyrrolo[3,4-d]pyrimidinecarboxamide IUPAC Name: 4-amino-6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-N-prop-2-enylpyrrolo[3,4-d]pyrimidine-7-carboxamide Traditional Name: N-allyl-4-amino-6-(2-bromo-3,4,5-trimethoxy-benzyl)pyrrolo[3,4-d]pyrimidine-7-carboxamide Formula: C20H22BrN5O4 MolecularWeight: 476.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=C3C(=C2C(=O)NCC=C)N=CN=C3N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=C3C(=C2C(=O)NCC=C)N=CN=C3N)Br)OC)OC

InChI

InChI=1S/C20H22BrN5O4/c1-5-6-23-20(27)16-15-12(19(22)25-10-24-15)9-26(16)8-11-7-13(28-2)17(29-3)18(30-4)14(11)21/h5,7,9-10H,1,6,8H2,2-4H3,(H,23,27)(H2,22,24,25)