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

Systemtic Name: N-[4-[1-(aminocarbonylamino)-1,2,3-triazol-4-yl]phenyl]ethanamide hydrate Openeye Name: N-[4-(1-ureidotriazol-4-yl)phenyl]acetamide hydrate CAS Name: N-[4-[1-(carbamoylamino)-4-triazolyl]phenyl]acetamide hydrate IUPAC Name: N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide hydrate Traditional Name: N-[4-(1-ureidotriazol-4-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=CN(N=N2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=CN(N=N2)NC(=O)N.O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CN(N=N2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=CN(N=N2)NC(=O)N.O

InChI

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