5-[4-azanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[4-azanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-(4-amino-7-benzyl-pyrrolo[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[4-amino-7-(phenylmethyl)-6-pyrrolo[2,3-d]pyrimidinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-(4-amino-7-benzylpyrrolo[2,3-d]pyrimidin-6-yl)-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-(4-amino-7-benzyl-pyrrolo[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C2=CC3=C(N2CC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)C2=CC3=C(N2CC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C19H18N6O2/c1-23-10-14(18(26)24(2)19(23)27)15-8-13-16(20)21-11-22-17(13)25(15)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H2,20,21,22)