6-[3-(1-benzothiophen-2-yl)prop-2-ynyl]-3-(phenylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

Systemtic Name: 6-[3-(1-benzothiophen-2-yl)prop-2-ynyl]-3-(phenylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine Openeye Name: 6-[3-(benzothiophen-2-yl)prop-2-ynyl]-3-benzyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine CAS Name: 6-[3-(1-benzothiophen-2-yl)prop-2-ynyl]-3-(phenylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine IUPAC Name: 6-[3-(1-benzothiophen-2-yl)prop-2-ynyl]-3-benzyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine Traditional Name: 6-[3-(benzothiophen-2-yl)prop-2-ynyl]-3-benzyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine Formula: C25H23N3S MolecularWeight: 397.53522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=CN(C2)CC3=CC=CC=C3)CC#CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC2=C1N=CN(C2)CC3=CC=CC=C3)CC#CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3S/c1-2-7-20(8-3-1)16-28-18-22-17-27(14-12-24(22)26-19-28)13-6-10-23-15-21-9-4-5-11-25(21)29-23/h1-5,7-9,11,15,19H,12-14,16-18H2