2-azanyl-5-[azanyl-[4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[azanyl-[4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[amino-[4-(4-amino-3-methoxy-phenyl)-2-methoxy-phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[amino-[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[amino-[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[amino-[4-(4-amino-3-methoxy-phenyl)-2-methoxy-phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)C(C3=C4C(=NC(=NC4=O)N)N=C3)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)C(C3=C4C(=NC(=NC4=O)N)N=C3)N

InChI

InChI=1S/C21H20N6O3/c1-29-15-7-10(11-4-6-14(22)16(8-11)30-2)3-5-12(15)18(23)13-9-25-19-17(13)20(28)27-21(24)26-19/h3-9,18H,22-23H2,1-2H3,(H2,24,27,28)