4-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]butanamide

CAS: 959763-06-5

Formula: C19H18ClN5O2S

SMILES: NC(=O)CCCSC1=NC(N)=NC(=N1)C1=C(Cl)C=C2COCC3=C2C1=CC=C3

IUPAC: 4-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]butanamide

InChI: InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)

Composition: C (54.87%), H (4.36%), Cl (8.52%), N (16.84%), O (7.69%), S (7.71%)

Molar Mass: 415.9

Atom Count: 46

Heavy Atom Count: 28