N-[4-(dictylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide

Systemtic Name: N-[4-(dictylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-[hexyl(phenyl)amino]butanamide Openeye Name: N-[4-(dictylamino)-6-ethylsulfanyl-2-methyl-pyrimidin-5-yl]-4-(N-hexylanilino)butanamide CAS Name: N-[4-(dictylamino)-6-(ethylthio)-2-methyl-5-pyrimidinyl]-4-(N-hexylanilino)butanamide IUPAC Name: N-[4-(dictylamino)-6-ethylsulfanyl-2-methylpyrimidin-5-yl]-4-(N-hexylanilino)butanamide Traditional Name: N-[4-(dictylamino)-6-(ethylthio)-2-methyl-pyrimidin-5-yl]-4-(N-hexylanilino)butyramide Formula: C223H435N5OS MolecularWeight: 3234.9379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC1=C(C(=NC(=N1)C)SCC)NC(=O)CCCN(CCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC1=C(C(=NC(=N1)C)SCC)NC(=O)CCCN(CCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C223H435N5OS/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-96-97-98-99-100-101-102-103-104-105-106-107-108-109-110-111-112-113-114-115-116-117-118-119-120-121-122-123-124-125-126-127-128-129-130-131-132-133-134-135-136-137-138-139-140-141-142-143-144-145-146-147-148-149-150-151-152-153-154-155-156-157-158-159-160-161-162-163-164-165-166-167-168-169-170-171-172-173-174-175-176-177-178-179-180-181-182-183-184-185-186-187-188-189-190-191-192-193-194-195-196-197-198-199-200-201-202-203-204-205-209-215-224-222-221(223(230-7-3)226-218(4)225-222)227-220(229)214-211-217-228(216-210-11-9-6-2)219-212-207-206-208-213-219/h206-208,212-213H,5-205,209-211,214-217H2,1-4H3,(H,227,229)(H,224,225,226)