6-azanyl-1-butyl-5-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(5-chloro-4-thiadiazolyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-1-butyl-pyrimidine-2,4-quinone Formula: C18H21ClN6O2S MolecularWeight: 420.91634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=C(SN=N3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=C(SN=N3)Cl)N

InChI

InChI=1S/C18H21ClN6O2S/c1-2-3-9-25-16(20)14(17(26)21-18(25)27)24(10-12-7-5-4-6-8-12)11-13-15(19)28-23-22-13/h4-8H,2-3,9-11,20H2,1H3,(H,21,26,27)