5-(4-tert-butylphenyl)sulfanyl-6-nitro-quinazoline-2,4-diamine

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-6-nitro-quinazoline-2,4-diamine Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-6-nitro-quinazoline-2,4-diamine CAS Name: 5-[(4-tert-butylphenyl)thio]-6-nitroquinazoline-2,4-diamine IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-6-nitroquinazoline-2,4-diamine Traditional Name: [2-amino-5-[(4-tert-butylphenyl)thio]-6-nitro-quinazolin-4-yl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=NC(=N3)N)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=NC(=N3)N)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-18(2,3)10-4-6-11(7-5-10)26-15-13(23(24)25)9-8-12-14(15)16(19)22-17(20)21-12/h4-9H,1-3H3,(H4,19,20,21,22)