5-(4-heptylphenyl)sulfanylquinazoline-2,4-diamine

Systemtic Name: 5-(4-heptylphenyl)sulfanylquinazoline-2,4-diamine Openeye Name: 5-(4-heptylphenyl)sulfanylquinazoline-2,4-diamine CAS Name: 5-[(4-heptylphenyl)thio]quinazoline-2,4-diamine IUPAC Name: 5-(4-heptylphenyl)sulfanylquinazoline-2,4-diamine Traditional Name: [2-amino-5-[(4-heptylphenyl)thio]quinazolin-4-yl]amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C21H26N4S/c1-2-3-4-5-6-8-15-11-13-16(14-12-15)26-18-10-7-9-17-19(18)20(22)25-21(23)24-17/h7,9-14H,2-6,8H2,1H3,(H4,22,23,24,25)