1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-yl]-3-phenyl-thiourea

Systemtic Name: 1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-yl]-3-phenyl-thiourea Openeye Name: 1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-yl]-3-phenyl-thiourea CAS Name: 1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-yl]-3-phenylthiourea IUPAC Name: 1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-yl]-3-phenylthiourea Traditional Name: 1-[6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimid[2,1-a]isoquinolin-10-yl]-3-phenyl-thiourea Formula: C29H30N4S MolecularWeight: 466.6403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)C5=NCCCN25

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)C5=NCCCN25

InChI

InChI=1S/C29H30N4S/c1-29(2,3)22-13-10-20(11-14-22)26-18-21-12-15-24(19-25(21)27-30-16-7-17-33(26)27)32-28(34)31-23-8-5-4-6-9-23/h4-6,8-15,18-19H,7,16-17H2,1-3H3,(H2,31,32,34)