2,4-bis(azepan-1-yl)-5-[(2-phenylphenyl)methyl]pyrrolo[3,2-d]pyrimidine

Systemtic Name: 2,4-bis(azepan-1-yl)-5-[(2-phenylphenyl)methyl]pyrrolo[3,2-d]pyrimidine Openeye Name: 2,4-bis(azepan-1-yl)-5-[(2-phenylphenyl)methyl]pyrrolo[3,2-d]pyrimidine CAS Name: 2,4-bis(1-azepanyl)-5-[(2-phenylphenyl)methyl]pyrrolo[3,2-d]pyrimidine IUPAC Name: 2,4-bis(azepan-1-yl)-5-[(2-phenylphenyl)methyl]pyrrolo[3,2-d]pyrimidine Traditional Name: 2,4-bis(azepan-1-yl)-5-(2-phenylbenzyl)pyrrolo[3,2-d]pyrimidine Formula: C31H37N5 MolecularWeight: 479.65898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2N(C=C3)CC4=CC=CC=C4C5=CC=CC=C5)N6CCCCCC6

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2N(C=C3)CC4=CC=CC=C4C5=CC=CC=C5)N6CCCCCC6

InChI

InChI=1S/C31H37N5/c1-2-11-20-34(19-10-1)30-29-28(32-31(33-30)35-21-12-3-4-13-22-35)18-23-36(29)24-26-16-8-9-17-27(26)25-14-6-5-7-15-25/h5-9,14-18,23H,1-4,10-13,19-22,24H2