1-(4,7-dimethylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)azepan-4-amine

Systemtic Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)azepan-4-amine Openeye Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(3-thienylmethyl)azepan-4-amine CAS Name: 1-(4,7-dimethyl-2-quinazolinyl)-N-(3-thiophenylmethyl)-4-azepanamine IUPAC Name: 1-(4,7-dimethylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)azepan-4-amine Traditional Name: [1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-thenyl)amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC4=CSC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC4=CSC=C4)C

InChI

InChI=1S/C21H26N4S/c1-15-5-6-19-16(2)23-21(24-20(19)12-15)25-9-3-4-18(7-10-25)22-13-17-8-11-26-14-17/h5-6,8,11-12,14,18,22H,3-4,7,9-10,13H2,1-2H3