2-[(4S)-4-azanyl-5-oxidanyl-5-(4-oxidanylidene-1H-quinazolin-2-yl)pentyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-oxidanyl-5-(4-oxidanylidene-1H-quinazolin-2-yl)pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-hydroxy-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-hydroxy-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-hydroxy-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-hydroxy-5-(4-keto-1H-quinazolin-2-yl)pentyl]-1-tosyl-guanidine Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(C2=NC(=O)C3=CC=CC=C3N2)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC(=O)C3=CC=CC=C3N2)O)N)N

InChI

InChI=1S/C21H26N6O4S/c1-13-8-10-14(11-9-13)32(30,31)27-21(23)24-12-4-6-16(22)18(28)19-25-17-7-3-2-5-15(17)20(29)26-19/h2-3,5,7-11,16,18,28H,4,6,12,22H2,1H3,(H3,23,24,27)(H,25,26,29)/t16-,18?/m0/s1