4-butyl-5-phenylmethoxy-2-piperazin-1-yl-6-pyrrol-1-yl-pyrimidine

Systemtic Name: 4-butyl-5-phenylmethoxy-2-piperazin-1-yl-6-pyrrol-1-yl-pyrimidine Openeye Name: 5-benzyloxy-4-butyl-2-piperazin-1-yl-6-pyrrol-1-yl-pyrimidine CAS Name: 4-butyl-5-phenylmethoxy-2-(1-piperazinyl)-6-(1-pyrrolyl)pyrimidine IUPAC Name: 4-butyl-5-phenylmethoxy-2-piperazin-1-yl-6-pyrrol-1-ylpyrimidine Traditional Name: 5-benzoxy-4-butyl-2-piperazino-6-pyrrol-1-yl-pyrimidine Formula: C23H29N5O MolecularWeight: 391.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)N2CCNCC2)N3C=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)N2CCNCC2)N3C=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-2-3-11-20-21(29-18-19-9-5-4-6-10-19)22(27-14-7-8-15-27)26-23(25-20)28-16-12-24-13-17-28/h4-10,14-15,24H,2-3,11-13,16-18H2,1H3