4-(azepan-1-yl)-5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N3S/c1-15-16(2)25-21-19(15)20(24-12-8-3-4-9-13-24)22-18(23-21)14-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3