2-azanyl-5-[[bis[(3-methylphenyl)methyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[bis[(3-methylphenyl)methyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[bis(m-tolylmethyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[bis[(3-methylphenyl)methyl]amino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[[bis[(3-methylphenyl)methyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[bis(3-methylbenzyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC2=CC=CC(=C2)C)CC3=C4C(=NC(=NC4=O)N)N=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC2=CC=CC(=C2)C)CC3=C4C(=NC(=NC4=O)N)N=C3

InChI

InChI=1S/C23H23N5O/c1-15-5-3-7-17(9-15)12-28(13-18-8-4-6-16(2)10-18)14-19-11-25-21-20(19)22(29)27-23(24)26-21/h3-11H,12-14H2,1-2H3,(H2,24,27,29)