N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine

Systemtic Name: N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine Openeye Name: N'-[6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine CAS Name: N'-[6-(1-phenyl-4-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine IUPAC Name: N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine Traditional Name: 4-aminobutyl-[6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=NC(=NC=C3N2)NCCCCN)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC3=NC(=NC=C3N2)NCCCCN)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6/c22-10-4-5-11-23-21-24-15-20-19(26-21)14-18(25-20)16-8-12-27(13-9-16)17-6-2-1-3-7-17/h1-3,6-7,14-16,25H,4-5,8-13,22H2,(H,23,24,26)