4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-[4-[(2,4-dimethylphenyl)methyl]-1-piperazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-[4-(2,4-dimethylbenzyl)piperazino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3)C

InChI

InChI=1S/C23H28N4S/c1-16-7-8-18(17(2)13-16)14-26-9-11-27(12-10-26)22-21-19-5-3-4-6-20(19)28-23(21)25-15-24-22/h7-8,13,15H,3-6,9-12,14H2,1-2H3