N-[4-[3-(aminocarbonylamino)-1H-1,2,4-triazol-5-yl]phenyl]ethanamide hydrate

Systemtic Name: N-[4-[3-(aminocarbonylamino)-1H-1,2,4-triazol-5-yl]phenyl]ethanamide hydrate Openeye Name: N-[4-(3-ureido-1H-1,2,4-triazol-5-yl)phenyl]acetamide hydrate CAS Name: N-[4-[3-(carbamoylamino)-1H-1,2,4-triazol-5-yl]phenyl]acetamide hydrate IUPAC Name: N-[4-[3-(carbamoylamino)-1H-1,2,4-triazol-5-yl]phenyl]acetamide hydrate Traditional Name: N-[4-(3-ureido-1H-1,2,4-triazol-5-yl)phenyl]acetamide hydrate Formula: C22H26N12O5 MolecularWeight: 538.51924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.O

InChI

InChI=1S/2C11H12N6O2.H2O/c2*1-6(18)13-8-4-2-7(3-5-8)9-14-11(17-16-9)15-10(12)19;/h2*2-5H,1H3,(H,13,18)(H4,12,14,15,16,17,19);1H2