4-[6-azanyl-7-(ethylamino)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6-azanyl-7-(ethylamino)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-amino-7-(ethylamino)quinazolin-4-yl]-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-[6-amino-7-(ethylamino)-4-quinazolinyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-amino-7-(ethylamino)quinazolin-4-yl]-N-benzylpiperazine-1-carbothioamide Traditional Name: 4-[6-amino-7-(ethylamino)quinazolin-4-yl]-N-benzyl-piperazine-1-carbothioamide Formula: C22H27N7S MolecularWeight: 421.56168

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)N

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)N

InChI

InChI=1S/C22H27N7S/c1-2-24-20-13-19-17(12-18(20)23)21(27-15-26-19)28-8-10-29(11-9-28)22(30)25-14-16-6-4-3-5-7-16/h3-7,12-13,15,24H,2,8-11,14,23H2,1H3,(H,25,30)