6-[[(4-chlorophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol

Systemtic Name: 6-[[(4-chlorophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol Openeye Name: 6-[(4-chloroanilino)methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol CAS Name: 6-[(4-chloroanilino)methyl]-5-methylquinazoline-2,4-diamine; (E)-ethene-1,2-diol IUPAC Name: 6-[(4-chloroanilino)methyl]-5-methylquinazoline-2,4-diamine; (E)-ethene-1,2-diol Traditional Name: (4-chlorophenyl)-[(2,4-diamino-5-methyl-quinazolin-6-yl)methyl]amine; (E)-ethene-1,2-diol Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)Cl.C(=CO)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)Cl.C(=C/O)\O

InChI

InChI=1S/C16H16ClN5.C2H4O2/c1-9-10(8-20-12-5-3-11(17)4-6-12)2-7-13-14(9)15(18)22-16(19)21-13;3-1-2-4/h2-7,20H,8H2,1H3,(H4,18,19,21,22);1-4H/b;2-1+