tert-butyl (NE)-N-[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonyl-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonyl-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylene]carbamate CAS Name: (NE)-N-[amino-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(3,5-diamino-6-chloro-pyrazinoyl)-[4-[4-(2-dimethylaminoethyloxy)phenyl]butyl]amino]methylene]carbamic acid tert-butyl ester Formula: C25H37ClN8O4 MolecularWeight: 549.06548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(N)N(CCCCC1=CC=C(C=C1)OCCN(C)C)C(=O)C2=C(N=C(C(=N2)Cl)N)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(\N)/N(CCCCC1=CC=C(C=C1)OCCN(C)C)C(=O)C2=C(N=C(C(=N2)Cl)N)N

InChI

InChI=1S/C25H37ClN8O4/c1-25(2,3)38-24(36)32-23(29)34(22(35)18-20(27)31-21(28)19(26)30-18)13-7-6-8-16-9-11-17(12-10-16)37-15-14-33(4)5/h9-12H,6-8,13-15H2,1-5H3,(H4,27,28,31)(H2,29,32,36)